Minimum MD simulation length required to achieve reliable results in free energy perturbation calculations case study of relative binding free energies of fructose-1,6-bisphosphata...

von Rathore, R S
Veröffentlicht in: Journal of computational chemistry (2011)

Calculation of relative binding affinities of fructose 1,6-bisphosphatase mutants with adenosine monophosphate using free energy perturbation method

von Mutyala, Ravichandra
Veröffentlicht in: Journal of computational chemistry (2007)

Ab initio quantum mechanics-based free energy perturbation method for calculating relative solvation free energies

von Reddy, M Rami
Veröffentlicht in: Journal of computational chemistry (2007)